Metal-directed Assembly of Two Distinct Coordination Polymers with 2,5-Furandicarboxylic Acid and 4,4'-Bipyridine

By using solvothermal method, two new metal coordination polymers based on 2,5-furandicarboxylic acid（H2FDA） ligand and 4,4＇-bipyridine（bipy）, [Cu（FDA）（4,4＇-bipy）（DMF）]n·solvent（1） and {[Zn（4,4＇-bipy）（FDA）（DMF）]·DMF}n（2）, were produced and characterized by single-crystal X-ray diffraction analyses, elemental analyses, IR and powder X-ray diffraction. Compound 1 crystallizes in monoclinic space group P21/c with a = 11.104（2）, b = 10.396（2）, c = 18.772（4） , β = 96.20（3）o, V = 2154.2（7） 3, Dc = 1.378 g/cm^3, C19H17 Cu N3O6, Mr = 446.90, F（000） = 916, μ（Mo Kα） = 1.05 mm^-1, Z = 4, R = 0.0691 and wR = 0.1341 for 3537 observed reflections（I 2σ（I））, and R = 0.1062 and w R = 0.1482 for all data. Compound 2 crystallizes in monoclinic space group C2/c with a = 29.779（6）, b = 9.6417（19）, c = 17.292（3）, β = 105.69（3）°, V = 4779.9（16） 3, Dc = 1.445 g/cm^3, C22H22N4O7 Zn, Mr = 519.81, F（000） = 2144, μ（Mo Kα）= 1.08 mm^-1, Z = 8, R = 0.0641 and w R = 0.1007 for 2985 observed reflections（I 2σ（I））, and R = 0.1028 and w R = 0.1112 for all data. Different coordination geometry of metal ions, square pyramid of Cu2＋ and trigonal bipyramid of Zn2＋, bring about different orientations of FDA2- ligands as well as 4,4＇-bipyridine ligands, and furthermore distinct assembly structures for 1 and 2. The thermal stabilities of 1 and 2 are also investigated.

pH Dependent Supramolecules Based on Co-crystallization of Pyrazine-2,3,5,6-tetracarboxylic Acid with 4,4＇-Bipyridine through Intermolecular Hydrogen Bonds

Co-crystallization of pztcH_4 with 4,4＇-bipyridine（4,4＇-bipy） in pH = 3-4 and 1-2 gave two new binary molecular adducts： [（4,4＇-bipy H2）（pztc H2）]（1） and [（4,4＇-bipy H2）（pztcH3）（Cl）]·4H2O（2）, respectively. Compounds 1 and 2 have been characterized by IR, elemental analysis, NMR and X-ray single-crystal diffraction. Compound 1 crystallizes in triclinic, space group P1 with a = 5.7752（12）, b = 7.9126（16）, c = 9.4492（19） ？, α = 97.49（3）, β = 107.71（3）, γ = 94.52（3）o, V = 404.62（14） A^3, Z = 1, μ = 0.137 mm^1, Dc = 1.692 Mg/m^3, C18H12N4O8, Mr = 412.32, F（000） = 212, S = 1.025, R = 0.0360 and wR = 0.0973. Compound 2 crystallizes in monoclinic, space group C2/c with a = 17.093（3）, b = 7.7665（16）, c = 18.414（4） A, β = 113.36（3）o, V = 2244.1（8） A^3, Z = 4, μ = 0.244 mm^-1, Dc = 1.542 Mg/m^3, C18H21ClN4O12, Mr = 520.84, F（000） = 1080, S = 1.021, R = 0.0343 and wR = 0.0978. In compound 1, pztc H22- anions self-formed 2-D sheets by strong Oacid-H···Oacidhydrogen bonds, which are further extended to form a 3-D supramolecular network bridged with 4,4？-bipy via N-H···Oacid interactions. In compound 2, besides the 1-D chain constructed by pztc H3-itself through strong H-bond Oacid-H···Oacid, the other chain is constructed with 4,4？-bipy H22＋, Cl-anion and water molecules by moderate H-bonds and Ow-H···Cl and N-H···Ow. The two chains are linked with μ3-connected water molecules resulting from the combination of strong synthon-assisted H-bonding Oacid-H···Ow to afford an interlaced 3-D network.

Synthesis, Crystal Structure and Catalytic Activity of a Bimetallic Rhodium Complex with 1,5-Cyclooctadiene and 2,2'-Bipyridine

A new complex [Rh（COD）（2,2＇-bipy）]·[Rh（COD）Cl2]（COD = 1,5-cyclooctadiene, 2,2＇-bipy = 2,2＇-bipyridine） has been synthesized and characterized by elemental analyses, NMR and single-crystal X-ray diffraction. The complex crystallizes in triclinic system, space group P1 with a = 7.4782（14）, b = 10.1400（11）, c = 16.6982（14） , α = 103.494（11）, β = 91.996（13）, γ = 103.829（12）o, C26H32Cl2N2Rh2, Mr = 649.26, V = 1190.0（3）3, Dc = 1.812 g/cm3, Z = 2, F（000） = 652, μ（Mo Kα） = 1.629 mm-1, R = 0.0286 and w R = 0.0463 for 3718 observed reflections（I 2σ（I））. The complex was linked to form 1D chains by hydrogen bonding interaction（C–H···Cl）, and further to construct a 2D layer structure by π···π stacking interactions between the pyridine rings of 2,2＇-bipy ligands. The hydroformylation catalyzed by the title complex was also studied.

Synthesis and Crystal Structure of a Cu(Ⅱ) Complex with Reduced Schiff-base N-(2-Hydroxybenzyl)-D,L-alanine and 4,4'-Bipyridine

A new complex [Cu2（sala）2（H20）2（4,4＇-bipy）]＇H20 （sala = N-（2-hydroxybenzyl）- D,L-alaninate, 4,4＇-bipy = 4,4＇-bipyridine） has been synthesized and characterized by elemental analysis, IR spectroscopy, thermogravimetric analysis and single-crystal X-ray diffraction. The complex crystallizes in monoclinic system, space group C2/c with a = 42.44（3）, b = 10.416（8）, c = 15.487（13） ./k, fl = 97.455（14）°, C30H36Cu2N4O9, Mr = 723.71, V = 6789（9） A3, Dc = 1.416 g/cm3, Z = 8, F（000） = 2992, μ（MoKa） = 1.308 mm-1, R = 0.0493 and wR = 0.1004 for 4878 observed reflections （I 〉 2σ（I））. Structural analysis shows that each copper（II） atom displays a distorted square-based pyramidal coordination geometry with two oxygen atoms and one nitrogen atom from one N-（2-hydroxybenzyl）-D,L-alaninate, one nitrogen atom from 4,4＇-bipyridine ligand and one water molecule. 4,4＇-Bipyridine ligand bridges two Cu（II） ions to form a dinuclear compound. The molecular structure is extended into a one-dimensional wavy chain through hydrogen bonds. These 1D chains are further expanded into 2D networks through hydrogen bonds.

Fluorescence property of tris(2,2′-bipyridine)ruthenium(Ⅱ)dichloride immobilized in the gallery ofγ-zirconium phosphates

Tris （2, 2′-bipyridine） ruthenium （Ⅱ） （Ru（bpy）3^2＋） dichloride was successfully immobilized into the galleria of layered gamma zirconium phosphate （γ-ZrP） preintercalated by butyl amine（BA）. The compounds showed extended luminescence lifetime of about four times of unimmobilized metal complex.

Synthesis,Crystal Structure and Bioactivity of a Pd(Ⅱ) Complex with Demethylcantharate and 2,2′-Bipyridine

A novel crystal with the molecular formula [Pd（DCA）（bipy）]2 [Pd（bipy）Cl2 ]·6.75H2O was formed by PdCl2 with disodium demethylcantharate （Na2 （DCA）,DCA2= 7-oxa-bicyclo[2.2.1]heptane-2,3-bicarboxylate） and 2,2-bipyidine （bipy） through the hydrothermal method.The complex was characterized by elemental analysis and infrared spectroscopy.The structure of the complex was determined by single-crystal X-ray diffraction,which is of triclinic system,space group P1 with a=13.6818（7）,b=14.8426（8）,c=15.0043（8）,α=97.319（3）,β=92.521（3）,γ=105.776（2）°,V=2898.4（3） 3,Dc=1.545 g·cm-3,Z=1,F（000）=1420,S=0.852,the final R=0.0525 and wR=0.1777 for 13634 observer reflections （I〉2σ（I））.The binding reaction of the complex with ct-DNA and bovine serum albumin （BSA） was studied by fluorescence spectroscopy.The results indicated that the complex binds to ct-DNA via the partial intercalation.The binding constant K A of the complex interaction with BSA was 3.98×10 5 L·mol-1 and one binding site would be formed.The antiproliferative activity of the complex against human hepatoma cells （SMMC7721） in vitro is much higher than that of Na 2 （DCA）.

Investigation of Intermolecular C-H···Halogen Hydrogen Bonded Supramolecular Assemblies in Three Copper(Ⅰ) Complexes Formed by 3,3'-Dimethoxy-6,6'-dimethyl-2,2'-bipyridine Ligand

Three new crystalline compounds 1-3 were successfully obtained by the reactions of 3,3＇-dimethoxy-6,6＇-dimethyl-2,2＇-bipyridine ligand（dmbp） with the corresponding Cu（Ⅰ） salts.Crystal data for 1：orthorhombic Pbca,a = 18.5858（12）,b = 8.1821（5）,c = 20.6066（13） ,V = 3133.7（3） 3,Z = 8,Dc = 1.843 g/cm3,F（000） = 1696,μ = 3.366 mm-1,the final R = 0.0223 and wR = 0.0542.Crystal data for 2：Orthorhombic Pbca,a = 18.7883（16）,b = 8.3249（7）,c = 19.0294（17） ,V = 2976.4（4） 3,Z = 8,Dc = 1.731 g/cm3,F（000） = 1552,μ = 4.154 mm-1,the final R = 0.0279 and wR = 0.0680.Crystal data for 3：monoclinic P21/c,a = 13.812（10）,b = 9.910（7）,c = 23.444（17） ,β = 104.3350（10）°,V = 3090（4） 3,Z = 4,Dc = 1.476 g/cm3,F（000） = 1408,μ = 1.588 mm-1,the final R = 0.0479 and wR = 0.1081.The results of X-ray crystallographic analysis revealed that C14H16ICuN2O2（1） and C14H16BrCuN2O2（2） are isostructural compounds with the dimers connected by C-H···halogen hydrogen bonds to generate a three-dimensional（3D） supramolecular network in 1 and a two-dimensional（2D） sheet structure in 2,respectively,while the mononuclear complex C28H32Cl2Cu2N4O4（3） is ionic.In 3,the [Cu（dmbp）2]＋ cations and [ClCuCl]-anions are connected by C-H···Cl hydrogen bonds to form a one-dimensional（1D） chain along the a axis.Therefore,in the three complexes,the C-H···halogen hydrogen bonds dominate their crystal structures.Additionally,The UV luminescent properties of complexes 1-3 were investigated.

Two New Organic Supramolecular Complexes Based on 2,3,6,7-Tetrahydroxyl-9,10-dimethyl-9,10-dihydro-9,10-ethanoanthracene and 4,4′-Bipyridine or 4,4′-Bipyridinylethane

Two new organic supramolecular cocrystal complexes C18H18O4·C10H8N2（I） and C18H18O4·C12H10N2（II）（C18H18O4 = 2,3,6,7-tetrahydroxyl-9,10-dimethyl-9,10-dihydro-9,10-ethanoanthracene（LH4）, C10H8N2 = 4,4＇-bipyridine（bpy） and C12H10N2 = 4,4＇-bipyridinylethane（bpe）） have been obtained by mixing LH4 with corresponding bpy or bpe ligand. The two complexes have been determined by X-ray crystal structure analysis, elemental analysis and IR analysis. Compound I crystallizes in the orthorhombic Pnma with a = 9.7078（4）, b = 22.4974（10）, c = 20.6272（9） V = 4505.0（3）3, Mr = 454.51, Dc. = 1.340 g·cm^-3, μ = 0.09 mm-1, F（000） = 1920, Z = 8, R = 0.0503 and wR = 0.1360. Compound II crystallizes in monoclinic C2/c with a = 29.944（6）, b = 9.820（2）, c = 22.643（5） , V = 5048.4（18）3, Mr = 480.54, Dc. = 1.265 g cm^–3, μ = 0.084 mm^–1, F（000） = 2032, Z = 8, R = 0.0548 and wR = 0.1600. X-ray single-crystal structure analysis shows that two-dimensional（2D） layer supramolecular structures are formed through hydrogen bonds and π-π interactions in the two complexes. IR analysis also indicates that there are only associated hydroxyl groups in the two complexes.

Effects of Direction of Bridging of Thiocyanato on the Dimension of Coordination Polymers: Synthesis, Characterization and Single-crystal X-ray Structure Determination of [Cd(4,4'-dm-2,2'-bpy)(NCS)_2]_n and [Cd(4,4'-dmo-2,2'-bpy)(NCS)_2]_n Coordination Pol

Two new cadmium（II）-thiocyanato coordination polymers with 4,4＇-dimethyl-2,2＇-bipyridine（4,4＇-dm-2,2＇-bpy） and 4,4＇-dimethoxy-2,2＇-bipyridine（4,4＇-dmo-2,2＇-bpy） as chelating ligands were synthesized and characterized by elemental analysis, IR and 1H NMR spectroscopy and X-ray crystallography. Thermal properties were also studied as well. These complexes have formed as [Cd（4,4＇-dm-2,2＇-bpy）（NCS）2]n（1） and [Cd（4,4＇-dmo-2,2＇-bpy）（NCS）2]n（2）. The coordination numbers of CdII in 1 and 2 are six（Cd N4S2）. Direction of bridging of thiocyanato anions in 1 and 2 created one- and two-dimensional coordination polymers, respectively. The supramolecular features in these complexes were guided and controlled by weak directional intermolecular interactions.

Synthesis and Structural Characterizations of Ternary Iron(Ⅱ)Mixed Ligand Complex:Low Cost Materialsas a Precursor for Preparation of Nanometric Fe_(2)O_(3) Oxide

The reaction of the ligands,ethylenediaminetetraacetic acid terasodium salt(Na 4EDTA)and N—N heterocyclic diamines like2,2’-bipyridine(bipy)with iron(Ⅱ)sulfate with 1∶2∶2 stoichiometric ratios form the mononuclear ternary complex of formulae,[Fe_(2)(EDTA)(bipy)2]at pH~7.The FTIR and Raman laser spectra of the iron(Ⅱ)complex show that 2,2’-bipyridine is present asa bidentate ligand and the ethylenediaminetetraacetic acid terasodium salt as monodentate carboxylate anion.The electronic spectra and magnetic moments data suggest the six coordination number.It has two iron(Ⅱ)centers in octahedral environments,which are interlinked by carboxylato-O atoms of ethylenediaminetetraacetate and by nitrogen atoms of the two 2,2-bipyridine ligands in a chelating mode.Thermal analysis study show thatiron(Ⅱ)complex containing EDTA and 2,2’-bipyridine on its thermalde composition form the corresponding Fe_(2)O_(3) oxide in nano size at the temperature range~475℃.The iron(Ⅱ)complex was performed as a convenient low cost precursor for the preparation of Fe_(2)O_(3) nanoparticles by the the thermal decomposition method.The iron(Ⅲ)oxide composition has been discussedusing FTIR,X-ray diffraction(XRD),transmission electron microscopy(TEM)and energy-dispersive X-ray spectroscopy(EDX).

Biological Evaluation of New Schiff Bases: Synthesized from 4-Amino-3,5-dimethyl-1,2,4-triazole, Phenathroline and Bipyridine Dicarboxaldehydes

Four new Schiff bases with promising anticancer activity have been synthesized from 4-amino-3,5-dimethyl-1,2,4-triazole and di-pyridyl-aldehydes. Structures have been established by various spectroscopic methods. The compounds were tested in vitro to study their cytotoxicity and anti-oxidative activity in human lung carcinoma (A549), breast carcinoma (BT549), prostate adenocarcinoma (PC3) and mouse preadipocytes (3T3-L1) cells. Compound 1 was found to increase Glutathione (GSH) level slightly in all four cell lines. Compound 4 showed better selectivity and cytotoxicity against both BT549 and A549 cells compared to the anticancer drug tamoxifen. With the exception of compound 4 which reduced GSH levels in A549 and BT549, all other compounds maintained GSH levels in comparison to their respective controls.

Synthesis, crystal structure and photophysical properties of a neodymium trifluoroacetate complex with 2,2'-bipyridine

The neodymium trifluoroacetate complexes were synthesized and characterized by single-crystal X-ray diffraction for [Nd（CF3COO）3·Bpy·（H2O）3]Bpy（1）,elemental and TG analysis,FT-IR spectra,and PL spectra for Nd（CF3COO）3·Bpy（2）（Bpy：2,2＇-bipyri-dine）.The most interesting feature of the crystal structure for 1 is that it comprises a coordinated 2,2＇-bipyridine molecule and an out-sphere 2,2＇-bipyridine molecule.At the same time,the C-O distances appeared average which indicates the three atoms of carboxylato forming elec-tron-conjugate system.Hydrogen bond and π-π-stacking link the binuclear to two-dimensional sheet.The optical spectra for 2 exhibited that the complex possessed typical Nd（III） ion absorption and photoluminescence emission.The emission cross-section of 4F3/2→4I11/2 fluores-cence transition（3.63×10-20 cm2） was comparable with some laser glasses,which indicated good radiative properties of this neodymium trifluoroacetate complex in liquid matrix.The thermal analysis indicated that it was quite stable to heat.

Photoelectrical performance of nanocrystalline TiO_2 film electrode sensitized by Ru(Ⅱ)-bipyridine complexes

Two kinds of Ru(Ⅱ)-bipyridine complexes, cis-di(thiocyanate)bis(2,2′-bipyridyl-4,4′-dicarboxylate) ruthenium(Ⅱ) and cis-di(thiocyanate)bis(2,2′-bipyridyl-3,3′-dicarboxylate) ruthenium(Ⅱ), were utilized as the sensitizers to the nanocrystalline TiO-2 film electrodes. Study shows that the two dyes have quite different sensitization properties due to the strong steric effect of carboxyl groups. In addition, the pretreatment to nanocrystalline TiO-2 film electrodes with TiCl-4 was investigated, which is an effective way to improve the photoelectric conversion performances of sensitized TiO-2 electrodes.

PHASE TRANSFER OF PROTON CATALYZED BY 2,2'-BIPYRIDINE

Basic 2,2’-bipyridine (Pk_b 9.63) can catalyze the phase transfer of proton at the water/nitrobenzene interface. Investigations of chronopotentiometry with cyclic linear current-scanning and cyclic voltammetry show that the catalytic transfer behavior is closely related to pH of the aqueous phase. In this work, the theoretical expression of the transfer potential and current at different pHs has been deduced from the exper-

An efficient synthetic approach towards new 5,5'-diaryl-2,2'-bipyridine-based fluorophores

An efficient approach has been developed for the synthesis of 5,5＇-diaryl-2,2＇-bipyridines via their 1,2,4-triazine analogues.The notable advantages of the present method are：The possibility of varying the aromatic substituents in the positions 5 and 5＇ of bipyridine core and the possibility for obtaining 2,2＇-bipyridines bearing a fused cyclopentene core to increase the solubility in organic solvents.These 5,5＇-diaryl-2,2＇-bipyridines exhibited an intense emission in a range of ca.422-521 nm in acetonitrile solution;depending on the nature of the aromatic substituents and the presence of annulated cyclopentene fragments.Apart from that,the significant bathochromic shifts of the both absorption and emission maxima were observed in comparison with a number of previously described similar structures.In some cases the significant increasing of the fluorescence quantum yields took place.

Syntheses and Crystal Structures of Two Silver(Ⅰ) Complexes with Organic Carboxylic Acid and Bidentate N-donor Ligands

The title complexes（NH4）[Ag（dpe）（H2bptc）]（1） and Ag2（bpy）（ox）·7H2O（2） were synthesized via slow evaporation at room temperature,and characterized by elemental analysis and infrared spectra.The crystal of 1 crystallizes in triclinic,space group P1 with a = 8.3959（7）,b = 11.8088（12）,c = 12.8175（13） ,α = 85.507（2）,β = 79.245（1）,γ = 84.174（2）o,V = 1239.7（2） 3,Z = 2,C28H22AgN3O8,Mr = 636.36,Dc = 1.705 g/cm3,F（000） = 644 and μ（MoKα） = 0.874 mm-1.The final R = 0.0479 and wR = 0.1426 for 3632 observed reflections with I 〉2σ（I） and R = 0.0559 and wR = 0.1503 for all data.The crystal of 2 crystallizes in orthorhombic,space group Pnna with a = 17.2291（17）,b = 7.5289（6）,c = 21.369（2）,V = 2771.9（4） 3,Z = 4,C22H30Ag2N4O11,Mr = 742.24,Dc = 1.779 g/cm3,F（000） = 1488 and μ（MoKα） = 1.476 mm-1.The final R = 0.0648 and wR = 0.2058 for 1996 observed reflections with I 〉2σ（I） and R = 0.0769 and wR = 0.2192 for all data.X-ray diffraction reveals that in complexes 1 and 2,both 1,2-di（4-pyridyl）ethylene and 4,4＇-bipyridine act as typical bidentate N-donor ligands to link two Ag centers.3,3＇4,4＇-Biphenyltetracarboxylate and oxalate anions play the role of organic linkers and counter-ions to balance the cationic charge of AgI.The rich hydrogen-bonding interactions and ligand-unsupported Ag…Ag interactions as well as π-π stacking interactions contribute to the construction of three-dimensional sandwich-like frameworks.

Two Metal-organic Frameworks(MOFs) Assembled from One Asymmetric Semirigid Multicarboxylate Ligand:Syntheses and Crystal Structural Characterizations

Hydrothermal reactions between a new flexible multicarboxylate ligand of 3-（2-carboxy-phenoxy）-benzoic acid（H2L） and transitional metal cations of M2＋（M = Cu2＋,Ni2＋） in the presence of the secondary ligands of 1,10-phenanthroline（phen）,2,2＇-bipyridine（2,2？-bpy）,and 4,4＇-bipyridine（4,4＇-bpy） afford two novel coordination polymers Ni2（H2O）2L2（phen）（μ-4,4＇-bpy）（1） and CuIIL（2,2＇-bpy）（2）.Both compounds were characterized by X-ray crystallography.Crystal data of 1：C31H24N3NiO7,Mr = 609.24,monoclinic,space group P21/c,a = 17.560（8）,b = 10.528（5）,c = 30.613（15） ,V = 5659（5） 3,Z = 4,Dc = 1.430 g/cm3,F（000） = 502,μ = 0.739 mm-1,R = 0.0902,wR = 0.1346（I 2σ（I））,S = 1.002.Crystal data of 2：C24H16CuN2O5,Mr = 475.93,monoclinic,space group P21/n,a = 9.8904（13）,b = 11.0782（16）,c = 18.321（3） ,β = 11.0782（16）°,V = 1993.8（5） 3,Z = 4,Dc = 1.585 g/cm3,F（000） = 972,μ = 1.137 mm-1,R = 0.0433,wR = 0.0723（I 2σ（I）） and S = 1.004.Compound 1 displays a one-dimensional（1D） zigzag chain structure constructed from phen ligands and the deprotonated ligands of L2-,which further forms a ladder-shaped supramolecular architecture via the bridge of 4,4＇-bpy ligand.Complex 2 also possesses a ladder-shaped architecture based on the dinuclear CuII units.

Comparative study of the extraction selectivity of PFO-BPy and PCz for small to large diameter single-walled carbon nanotubes

Semiconducting single-walled carbon nanotubes(s-SWCNTs)are fascinating materials for future electronic and optical applications.Conjugated polymer wrapping is one of the most promising methods for mass production of high purity s-SWCNTs.However,its chiral selectivity is relatively inferior to other s-SWCNT production methods.In this paper,the chiral selectivity of two polymers,poly[(9,9-dioctylfluorenyl-2,7-diyl)-alt-co-(6,6′-{2,2′-bipyridine})](PFO-BPy)and poly[9-(1-octylonoyl)-9H-carbazole-2,7-diyl](PCz),which are representatives of widely used polyfluorene and polycarbazole families,respectively,were comparatively studied.Both polymers exhibited high selectivity for a subset of existing chiral species in each of the commercially available raw SWCNT materials(CoMoCAT,HiPco,and arc-discharge)which cover a diameter range of 0.6–1.8 nm.Less chiral species were selected by PFO-BPy from small diameter(<1 nm)raw SWCNT materials,while more from large diameter(>1.2 nm)raw materials.High chiral purity(6,5)(>99%)and(7,5)(>75%)solutions were extracted by PFO-BPy and PCz from CoMoCAT materials,respectively.The different chiral angle and diameter selections for different raw materials by both polymers were ascribed to their different geometrical structures and related polymer-tube interactions.Our work provides indispensable information for better understanding the mechanism of polymer wrapping method and improving extraction of single chirality sSWCNTs.